(NZ)-N-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide

C18H20N2O4S2 — CID 10949226

IUPAC(NZ)-N-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=[S@@](/C)N2C(=O)OC[C@@H]2Cc2ccccc2)cc1
InChIInChI=1S/C18H20N2O4S2/c1-14-8-10-17(11-9-14)26(22,23)19-25(2)20-16(13-24-18(20)21)12-15-6-4-3-5-7-15/h3-11,16H,12-13H2,1-2H3/t16-,25+/m0/s1
InChIKeyMPFOGPITNBZPOK-IVCQMTBJSA-N
MW392.50 g/mol
LogP3.09
Rot. Bonds5

About (NZ)-N-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide

(NZ)-N-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide (PubChem CID 10949226) has the molecular formula C18H20N2O4S2 and a molecular weight of 392.50 g/mol. Its IUPAC name is (NZ)-N-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide
PubChem CID10949226
Molecular FormulaC18H20N2O4S2
Molecular Weight392.50 g/mol
Exact Mass392.09
IUPAC Name(NZ)-N-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=[S@@](/C)N2C(=O)OC[C@@H]2Cc2ccccc2)cc1
InChIInChI=1S/C18H20N2O4S2/c1-14-8-10-17(11-9-14)26(22,23)19-25(2)20-16(13-24-18(20)21)12-15-6-4-3-5-7-15/h3-11,16H,12-13H2,1-2H3/t16-,25+/m0/s1
InChIKeyMPFOGPITNBZPOK-IVCQMTBJSA-N
XLogP3.09
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NZ)-N-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide (CID 10949226) is (NZ)-N-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NZ)-N-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NZ)-N-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)/N=[S@@](/C)N2C(=O)OC[C@@H]2Cc2ccccc2)cc1.
What is the InChIKey of (NZ)-N-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
The InChIKey is MPFOGPITNBZPOK-IVCQMTBJSA-N. The full InChI is InChI=1S/C18H20N2O4S2/c1-14-8-10-17(11-9-14)26(22,23)19-25(2)20-16(13-24-18(20)21)12-15-6-4-3-5-7-15/h3-11,16H,12-13H2,1-2H3/t16-,25+/m0/s1.
What are the key properties of (NZ)-N-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide?
(NZ)-N-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide has a molecular weight of 392.50 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 10949226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).